N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1H-benzimidazol-2-ylthio)-N-cyclopentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(1H-benzimidazol-2-ylthio)-N-cyclopentyl-acetamide Formula: C22H28N6O3S MolecularWeight: 456.56112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NC4=CC=CC=C4N3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C22H28N6O3S/c1-2-3-12-27-19(23)18(20(30)26-22(27)31)28(14-8-4-5-9-14)17(29)13-32-21-24-15-10-6-7-11-16(15)25-21/h6-7,10-11,14H,2-5,8-9,12-13,23H2,1H3,(H,24,25)(H,26,30,31)